tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid

C11H13FN2O3 — CID 162367724

IUPACtert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1cnc(F)cc1C=O
InChIInChI=1S/C11H13FN2O3/c1-11(2,3)14(10(16)17)8-5-13-9(12)4-7(8)6-15/h4-6H,1-3H3,(H,16,17)
InChIKeyOYOQISUSTZUHKT-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.32
Rot. Bonds2

About tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid

tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid (PubChem CID 162367724) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid
PubChem CID162367724
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Nametert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1cnc(F)cc1C=O
InChIInChI=1S/C11H13FN2O3/c1-11(2,3)14(10(16)17)8-5-13-9(12)4-7(8)6-15/h4-6H,1-3H3,(H,16,17)
InChIKeyOYOQISUSTZUHKT-UHFFFAOYSA-N
XLogP2.32
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid?
The IUPAC name of tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid (CID 162367724) is tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid.
What is the SMILES notation for tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid?
The canonical SMILES for tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid is CC(C)(C)N(C(=O)O)c1cnc(F)cc1C=O.
What is the InChIKey of tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid?
The InChIKey is OYOQISUSTZUHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-11(2,3)14(10(16)17)8-5-13-9(12)4-7(8)6-15/h4-6H,1-3H3,(H,16,17).
What are the key properties of tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid?
tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid has a molecular weight of 240.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(6-fluoro-4-formyl-3-pyridinyl)carbamic acid is sourced from PubChem (CID 162367724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).